CID 3033850

(methylamino)glycerol

Structural Information

Molecular Formula

C₄H₁₁NO₃

SMILES

CNC(C(CO)O)O

InChI

InChI=1S/C4H11NO3/c1-5-4(8)3(7)2-6/h3-8H,2H2,1H3

InChIKey

HEQCDGCRHOZAOV-UHFFFAOYSA-N

Compound name

1-(methylamino)propane-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 121.07389 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	122.081166	125.5
[M+Na]+	144.063108	130.8
[M-H]-	120.066614	121.8
[M+NH4]+	139.107713	145.3
[M+K]+	160.037048	130.6
[M+H-H2O]+	104.071150	121.1
[M+HCOO]-	166.072091	145.0
[M+CH3COO]-	180.087741	166.0
[M+Na-2H]-	142.048556	129.4
[M]+	121.07334142	122.4
[M]-	121.07443858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe